4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide

C24H24FN7O2 — CID 90435702

IUPAC4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3cnn(Cc4ccccn4)c3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H24FN7O2/c1-26-23(33)18-9-17(22(25)21(10-18)34-2)7-6-16-11-28-24(29-12-16)31-20-13-30-32(15-20)14-19-5-3-4-8-27-19/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,26,33)(H,28,29,31)
InChIKeyUXVMYCTXGNDCLP-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.15
Rot. Bonds9

About 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide

4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (PubChem CID 90435702) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
PubChem CID90435702
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3cnn(Cc4ccccn4)c3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H24FN7O2/c1-26-23(33)18-9-17(22(25)21(10-18)34-2)7-6-16-11-28-24(29-12-16)31-20-13-30-32(15-20)14-19-5-3-4-8-27-19/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,26,33)(H,28,29,31)
InChIKeyUXVMYCTXGNDCLP-UHFFFAOYSA-N
XLogP3.15
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
2-[(S)-cyclopropyl-(4-methoxypyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153572492
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
2-[(R)-cyclopropyl-(4-methoxy-2-pyridinyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 168268943
5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-2-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 168276711
3-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11068509

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (CID 90435702) is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is CNC(=O)c1cc(CCc2cnc(Nc3cnn(Cc4ccccn4)c3)nc2)c(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is UXVMYCTXGNDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-26-23(33)18-9-17(22(25)21(10-18)34-2)7-6-16-11-28-24(29-12-16)31-20-13-30-32(15-20)14-19-5-3-4-8-27-19/h3-5,8-13,15H,6-7,14H2,1-2H3,(H,26,33)(H,28,29,31).
What are the key properties of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 461.50 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 90435702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).